8-[4-[[1-(4-bromophenyl)pyrazol-3-yl]methyl]-1,4-diazepan-1-yl]-6-propan-2-yl-quinoline

Systemtic Name: 8-[4-[[1-(4-bromophenyl)pyrazol-3-yl]methyl]-1,4-diazepan-1-yl]-6-propan-2-yl-quinoline Openeye Name: 8-[4-[[1-(4-bromophenyl)pyrazol-3-yl]methyl]-1,4-diazepan-1-yl]-6-isopropyl-quinoline CAS Name: 8-[4-[[1-(4-bromophenyl)-3-pyrazolyl]methyl]-1,4-diazepan-1-yl]-6-propan-2-ylquinoline IUPAC Name: 8-[4-[[1-(4-bromophenyl)pyrazol-3-yl]methyl]-1,4-diazepan-1-yl]-6-propan-2-ylquinoline Traditional Name: 8-[4-[[1-(4-bromophenyl)pyrazol-3-yl]methyl]-1,4-diazepan-1-yl]-6-isopropyl-quinoline Formula: C27H30BrN5 MolecularWeight: 504.4646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C(=C1)C=CC=N2)N3CCCN(CC3)CC4=NN(C=C4)C5=CC=C(C=C5)Br

Isomeric SMILES

CC(C)C1=CC(=C2C(=C1)C=CC=N2)N3CCCN(CC3)CC4=NN(C=C4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C27H30BrN5/c1-20(2)22-17-21-5-3-11-29-27(21)26(18-22)32-13-4-12-31(15-16-32)19-24-10-14-33(30-24)25-8-6-23(28)7-9-25/h3,5-11,14,17-18,20H,4,12-13,15-16,19H2,1-2H3